methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate

C13H11FN2O3S — CID 114915398

IUPACmethyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)c1cccc(F)n1
InChIInChI=1S/C13H11FN2O3S/c1-7-6-20-11(13(18)19-2)10(7)16-12(17)8-4-3-5-9(14)15-8/h3-6H,1-2H3,(H,16,17)
InChIKeyXEMYJRIKZXFSGT-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.63
Rot. Bonds3

About methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate

methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate (PubChem CID 114915398) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate
PubChem CID114915398
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Namemethyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)c1cccc(F)n1
InChIInChI=1S/C13H11FN2O3S/c1-7-6-20-11(13(18)19-2)10(7)16-12(17)8-4-3-5-9(14)15-8/h3-6H,1-2H3,(H,16,17)
InChIKeyXEMYJRIKZXFSGT-UHFFFAOYSA-N
XLogP2.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(2-fluoro-3-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915416
methyl 4-methyl-3-[(1-methylimidazole-4-carbonyl)amino]thiophene-2-carboxylate
CID 114022860
methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915804
methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate
CID 114916114
methyl 3-[(2-amino-6-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114914489
6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 115496693
methyl 3-[(4-bromobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915742
6-fluoro-N-(5-methoxy-2-methylphenyl)pyridine-2-carboxamide
CID 113342916
methyl 3-[(4-chloro-2-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 102610428
methyl 3-[(3-amino-4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114914534
methyl 3-(2,6-dichloroanilino)-4-methylthiophene-2-carboxylate
CID 57017185
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate (CID 114915398) is methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1NC(=O)c1cccc(F)n1.
What is the InChIKey of methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate?
The InChIKey is XEMYJRIKZXFSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c1-7-6-20-11(13(18)19-2)10(7)16-12(17)8-4-3-5-9(14)15-8/h3-6H,1-2H3,(H,16,17).
What are the key properties of methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate?
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 114915398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).